SCHEMBL5508465

SCHEMBL5508465

Oc1cc(O)c(C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.35
HSD17B1 P14061 3/20 0.33
HSD17B2 P37059 3/20 0.33
MCL1 Q07820 1/20 0.32
APP P05067 1/20 0.32
NR1I2 O75469 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
MIF P14174 1/20 0.32
TYR P14679 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NQO1 P15559 1/20 0.32
BACE1 P56817 1/20 0.32
AR P10275 1/20 0.32
PTGS1 P23219 3/20 0.31
TDP1 Q9NUW8 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL395557 0.87 KIF11 (0.39) KIF11HSD17B1HSD17B2MCL1APP
SCHEMBL21490270 0.79 CES2 (0.39) KIF11MCL1ALDH1A1AR
SCHEMBL21490258 0.78 KDM4E (0.35) KIF11HSD17B1HSD17B2MCL1ALDH1A1
SCHEMBL5515820 0.77 GLA (0.34) KIF11APPALDH1A1ARCA12
SCHEMBL5511786 0.77 TSHR (0.43) KIF11MCL1ALDH1A1CA12CA1
SCHEMBL5511722 0.76 KDM4E (0.33) KIF11HSD17B1HSD17B2MCL1ALDH1A1
SCHEMBL26516808 0.74 CA1 (0.40) LMNATYRPTGS1TDP1CA1
SCHEMBL5509903 0.74 KIF11 (0.40) KIF11HSD17B1HSD17B2MCL1APP
SCHEMBL5517782 0.73 GAA (0.34) MCL1ALDH1A1ALOX15CA12CA1
SCHEMBL21490252 0.72 ERN1 (0.35) KIF11MCL1APPCYP2C9AR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed